CID 470833

Cgp 72163a

Structural Information

Molecular Formula
C24H33N5O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCCCN(CCCCN)CCCN
InChI
InChI=1S/C24H33N5O/c25-13-5-6-16-29(17-7-14-26)18-8-15-27-24(30)23-19-9-1-3-11-21(19)28-22-12-4-2-10-20(22)23/h1-4,9-12H,5-8,13-18,25-26H2,(H,27,30)
InChIKey
IZNITZLZRZLYOZ-UHFFFAOYSA-N
Compound name
N-[3-[4-aminobutyl(3-aminopropyl)amino]propyl]acridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

407.26852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27580 198.7
[M+Na]+ 430.25774 201.5
[M-H]- 406.26124 201.5
[M+NH4]+ 425.30234 208.7
[M+K]+ 446.23168 196.1
[M+H-H2O]+ 390.26578 187.9
[M+HCOO]- 452.26672 220.4
[M+CH3COO]- 466.28237 239.7
[M+Na-2H]- 428.24319 203.5
[M]+ 407.26797 200.4
[M]- 407.26907 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe